SCHEMBL8201307

SCHEMBL8201307

CCOC(=O)C(N)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11475881 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL24103338 0.79 L3MBTL1 (0.39) ALDH1A1NPSR1L3MBTL1TSHRALOX15
SCHEMBL11475883 0.78 MEN1 (0.36) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL10567566 0.77 POLB (0.37) MEN1KMT2APOLBGAAKDM4E
SCHEMBL11491509 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL493715 0.76 L3MBTL1 (0.44) ALDH1A1NPSR1GAAL3MBTL1SLC6A2
SCHEMBL13387500 0.76 L3MBTL1 (0.44) ALDH1A1NPSR1GAAL3MBTL1SLC6A2
SCHEMBL1908662 0.76 L3MBTL1 (0.44) ALDH1A1NPSR1GAAL3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL31601633 0.74 L3MBTL1 (0.43) ALDH1A1NPSR1GAAL3MBTL1SLC6A2
SCHEMBL13567174 0.74 KMT2A (0.43) ALDH1A1MEN1KMT2ANPSR1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed